SCHEMBL3483439

SCHEMBL3483439

[CH2]CN(C(=S)NC(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 6/20 0.42
PTGES O14684 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3483032 0.84 THRB (0.40) THRBNPSR1ALDH1A1LMNAMAPT
SCHEMBL3483023 0.75 NPSR1 (0.40) THRBNPSR1L3MBTL1ALDH1A1KMT2A
SCHEMBL3482979 0.74 PTGES (0.61) NPSR1L3MBTL1ALDH1A1PTGESMAPT
SCHEMBL3483440 0.74 LTB4R2 (0.50) NPSR1ALDH1A1LMNAKMT2AHPGD
SCHEMBL3483509 0.72 L3MBTL1 (0.56) L3MBTL1ALDH1A1LMNAMAPTPKM
SCHEMBL27699019 0.67 KMT2A (0.42) ALDH1A1LMNAMAPTKMT2AHPGD
SCHEMBL10793798 0.67 MEN1 (0.45) NPSR1ALDH1A1PTGESKMT2AGLA
SCHEMBL3483355 0.66 PTGES (0.33) PTGES
SCHEMBL13927157 0.65 ALDH1A1 (0.54) L3MBTL1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3483620 0.65 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R THRB 1525/4885NPSR1 68/4885L3MBTL1 2903/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRB 578/4885NPSR1 132/4885L3MBTL1 3073/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRB 578/4885NPSR1 132/4885L3MBTL1 3073/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 THRB 4037/4885NPSR1 1571/4885L3MBTL1 4867/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 THRB 578/4885NPSR1 132/4885L3MBTL1 3073/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.